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- ChemComp-FQX: [1,2,5]oxadiazolo[3,4-g]quinoxaline-6,7(5H,8H)-dione 1-oxide -

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Basic information

EntryDatabase: PDB chemical components / ID: FQX
NameName: [1,2,5]oxadiazolo[3,4-g]quinoxaline-6,7(5H,8H)-dione 1-oxide

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Chemical information

Composition
Formula: C8H4N4O4 / Number of atoms: 20 / Formula weight: 220.142 / Formal charge: 0
Others

3bki

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FQX / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3BKI
History
Create componentApr 3, 2008
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / ChEMBL / PubChem / PubChem_TPharma / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04[O-][n+]3onc2c3cc1NC(=O)C(=O)Nc1c2
CACTVS 3.341[O-][n+]1onc2cc3NC(=O)C(=O)Nc3cc12
OpenEye OEToolkits 1.5.0c1c2c(cc3c1NC(=O)C(=O)N3)[n+](on2)[O-]

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SMILES CANONICAL

CACTVS 3.341[O-][n+]1onc2cc3NC(=O)C(=O)Nc3cc12
OpenEye OEToolkits 1.5.0c1c2c(cc3c1NC(=O)C(=O)N3)[n+](on2)[O-]

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InChI

InChI 1.03InChI=1S/C8H4N4O4/c13-7-8(14)10-4-2-6-5(1-3(4)9-7)11-16-12(6)15/h1-2H,(H,9,13)(H,10,14)

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InChIKey

InChI 1.03GBLOKWQVACPFGV-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04[1,2,5]oxadiazolo[3,4-g]quinoxaline-6,7(5H,8H)-dione 1-oxide
OpenEye OEToolkits 1.5.03-oxido-5,8-dihydropyrazino[5,6-f][2,1,3]benzoxadiazol-3-ium-6,7-dione

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PDB entries

Showing all 1 items

PDB-3bki:
Crystal Structure of the GluR2 ligand binding core (S1S2J) in complex with FQX at 1.87 Angstroms

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